Geometry & MOs

Info

ID:

381658

PubChem CID:

134972456

Reduced:

O26C39H54 (1)

Stoich.:

A26B39C54 (1)

Weight, g/mol:

650.205814

ΔHf, kcal/mol:

-1175.84

Dipole, Da:

2.94

IP(EA), eV:

 -10.12(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-triacetyloxy-6-[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3C(C([C@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations